Glycoside
...
GD016459

Name:
None

Formula:
C28H32O12

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](O[C@H](CC=C(C)C)C2=CC(=O)c3c(O)ccc(O)c3C2=O)[C@@H]1OC(C)=O

Aglycone:
CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.46
AlogP: 2.68 Num_rotatable_bonds: 8
MolWt: 560.55 Num_heavy_atoms: 40
TPSA: 171.96 NumAromaticRings: 1

Unique Aglycone
AD02790
Formula: C16H16O5

Smiles:
CC(C)=CCC(O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.25
AlogP: 2.12 Num_rotatable_bonds: 3
MolWt: 288.3 Num_heavy_atoms: 21
TPSA: 94.83 NumAromaticRings: 1

Sugarmoiety
SD00522

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O